bis(phenylmethyl) (2R)-2-[(3,5-dimethyl-4-nitro-phenyl)carbonylamino]butanedioate

Systemtic Name: bis(phenylmethyl) (2R)-2-[(3,5-dimethyl-4-nitro-phenyl)carbonylamino]butanedioate Openeye Name: dibenzyl (2R)-2-[(3,5-dimethyl-4-nitro-benzoyl)amino]butanedioate CAS Name: (2R)-2-[[(3,5-dimethyl-4-nitrophenyl)-oxomethyl]amino]butanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl (2R)-2-[(3,5-dimethyl-4-nitrobenzoyl)amino]butanedioate Traditional Name: (2R)-2-[(3,5-dimethyl-4-nitro-benzoyl)amino]succinic acid dibenzyl ester Formula: C27H26N2O7 MolecularWeight: 490.50454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1[N+](=O)[O-])C)C(=O)NC(CC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1[N+](=O)[O-])C)C(=O)N[C@H](CC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H26N2O7/c1-18-13-22(14-19(2)25(18)29(33)34)26(31)28-23(27(32)36-17-21-11-7-4-8-12-21)15-24(30)35-16-20-9-5-3-6-10-20/h3-14,23H,15-17H2,1-2H3,(H,28,31)/t23-/m1/s1